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{
"id": "jvasp-89947",
"created_at": "2022-09-04T14:36:18.811248Z",
"updated_at": "2022-09-04T14:36:18.811273Z",
"structure_string": "Yb3 Sn3 Ir3\n1.0\n0.000000 0.000000 -4.159291\n-3.632567 -6.291790 0.000000\n-3.632477 6.291739 0.000000\nYb Sn Ir\n3 3 3\ndirect\n0.500000 0.590235 0.000000 Yb\n0.500000 0.409741 0.409750 Yb\n0.500000 0.999991 0.590251 Yb\n0.000000 0.257909 0.000000 Sn\n0.000000 0.742072 0.742088 Sn\n0.000000 0.999985 0.257913 Sn\n0.000000 0.333325 0.666674 Ir\n0.000000 0.666651 0.333326 Ir\n0.500000 0.999992 0.000000 Ir\n",
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{
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"structure_string": "Tm3 Sn3 Ir3\n1.0\n0.000000 0.000000 -3.825010\n-3.754208 -6.502481 0.000000\n-3.754167 6.502456 0.000000\nTm Sn Ir\n3 3 3\ndirect\n0.500000 0.597239 0.000000 Tm\n0.500000 0.402739 0.402751 Tm\n0.500000 0.999989 0.597250 Tm\n0.000000 0.264419 0.000000 Sn\n0.000000 0.735556 0.735571 Sn\n0.000000 0.999987 0.264430 Sn\n0.000000 0.333325 0.666669 Ir\n0.000000 0.666656 0.333332 Ir\n0.500000 0.999990 0.000000 Ir\n",
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{
"id": "jvasp-101089",
"created_at": "2022-09-04T14:37:15.141449Z",
"updated_at": "2022-09-04T14:37:15.141471Z",
"structure_string": "Ti1 Sn1 Ir1\n1.0\n3.797632 -0.000000 2.192564\n1.265877 3.580442 2.192564\n-0.000000 -0.000000 4.385128\nTi Sn Ir\n1 1 1\ndirect\n0.500000 0.500000 0.499999 Ti\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Ir\n",
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"elements": [
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"density_atomic": 0.05031407106145634,
"volume": 59.62546732375595,
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"formula_full": "Ti1 Sn1 Ir1",
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},
{
"id": "jvasp-97393",
"created_at": "2022-09-04T14:35:59.819125Z",
"updated_at": "2022-09-04T14:35:59.819153Z",
"structure_string": "Sn12 Te12 Ir8\n1.0\n9.491172 0.002070 0.007535\n0.007531 9.491169 0.007535\n0.002071 0.002070 9.491175\nSn Te Ir\n12 12 8\ndirect\n0.824097 0.340210 0.499673 Sn\n0.002060 0.676137 0.840676 Sn\n0.323862 0.159324 0.997940 Sn\n0.159324 0.997939 0.323862 Sn\n0.840676 0.002061 0.676138 Sn\n0.676137 0.840676 0.002060 Sn\n0.997939 0.323863 0.159324 Sn\n0.340210 0.499673 0.824097 Sn\n0.500327 0.175903 0.659790 Sn\n0.659789 0.500327 0.175903 Sn\n0.175903 0.659790 0.500327 Sn\n0.499673 0.824097 0.340210 Sn\n0.349971 0.497432 0.154016 Te\n0.000143 0.654226 0.150438 Te\n0.345773 0.849562 0.999857 Te\n0.849561 0.999857 0.345774 Te\n0.999857 0.345774 0.849562 Te\n0.497431 0.154016 0.349971 Te\n0.650029 0.502568 0.845984 Te\n0.154016 0.349971 0.497432 Te\n0.502568 0.845984 0.650029 Te\n0.654226 0.150438 0.000143 Te\n0.150438 0.000143 0.654227 Te\n0.845983 0.650029 0.502569 Te\n0.750125 0.750126 0.750126 Ir\n0.249032 0.248621 0.747592 Ir\n0.248621 0.747591 0.249032 Ir\n0.747591 0.249032 0.248622 Ir\n0.750968 0.751379 0.252409 Ir\n0.751378 0.252409 0.750969 Ir\n0.252409 0.750968 0.751379 Ir\n0.249874 0.249874 0.249875 Ir\n",
"nsites": 32,
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"elements": [
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],
"chemical_system": "Ir-Sn-Te",
"density": 8.727106684075256,
"density_atomic": 0.03742748736630352,
"volume": 854.9865954616564,
"volume_molar": 16.090155080572725,
"formula_full": "Sn12 Te12 Ir8",
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"formula_anonymous": "A2B3C3",
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"spacegroup": 148
},
{
"id": "jvasp-100273",
"created_at": "2022-09-04T14:36:32.936237Z",
"updated_at": "2022-09-04T14:36:32.936253Z",
"structure_string": "Tb3 Sn3 Ir3\n1.0\n7.519014 0.000000 -0.000000\n-3.759507 6.511659 -0.000000\n0.000000 -0.000000 3.937280\nTb Sn Ir\n3 3 3\ndirect\n0.594194 -0.000000 0.000000 Tb\n-0.000000 0.594195 0.000000 Tb\n0.405805 0.405805 0.000000 Tb\n0.260352 -0.000000 0.500000 Sn\n-0.000000 0.260352 0.500000 Sn\n0.739647 0.739648 0.500000 Sn\n0.333333 0.666667 0.500000 Ir\n0.666666 0.333333 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 9,
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"elements": [
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"density": 12.141795440075581,
"density_atomic": 0.0466867524943931,
"volume": 192.77417081174934,
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"formula_full": "Tb3 Sn3 Ir3",
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"formula_anonymous": "ABC",
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"spacegroup": 189
},
{
"id": "jvasp-23787",
"created_at": "2022-09-04T14:37:58.286062Z",
"updated_at": "2022-09-04T14:37:58.286097Z",
"structure_string": "Sr3 Sn4 Ir4\n1.0\n6.666619 0.000000 -2.357006\n-3.333310 5.773461 -2.357006\n0.000000 0.000000 7.071017\nSr Sn Ir\n3 4 4\ndirect\n-0.000000 0.500000 0.500000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.500000 0.500000 -0.000001 Sr\n-0.000000 0.386305 -0.000000 Sn\n0.386306 -0.000000 -0.000000 Sn\n0.000000 0.000000 0.386306 Sn\n0.613695 0.613694 0.613694 Sn\n0.000000 0.000000 0.750109 Ir\n0.750109 -0.000000 -0.000000 Ir\n0.249891 0.249891 0.249891 Ir\n-0.000000 0.750109 -0.000001 Ir\n",
"nsites": 11,
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"elements": [
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"density": 9.19208607666476,
"density_atomic": 0.04041745203397743,
"volume": 272.15965991009807,
"volume_molar": 14.89985255611218,
"formula_full": "Sr3 Sn4 Ir4",
"formula_reduced": "Sr3(SnIr)4",
"formula_anonymous": "A3B4C4",
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"spacegroup": 217
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{
"id": "jvasp-17585",
"created_at": "2022-09-04T14:38:28.739821Z",
"updated_at": "2022-09-04T14:38:28.739850Z",
"structure_string": "Sn2 Ir2\n1.0\n2.015053 -3.490174 -0.000000\n2.015053 3.490174 0.000000\n0.000000 0.000000 5.680631\nSn Ir\n2 2\ndirect\n0.666666 0.333332 0.250000 Sn\n0.333332 0.666666 0.750000 Sn\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"volume": 79.90245579517553,
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"formula_full": "Sn2 Ir2",
"formula_reduced": "SnIr",
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"spacegroup": 194
},
{
"id": "jvasp-20385",
"created_at": "2022-09-04T14:37:32.343305Z",
"updated_at": "2022-09-04T14:37:32.343326Z",
"structure_string": "Sn2 Ir1\n1.0\n3.947696 0.000000 2.279203\n1.315899 3.721924 2.279203\n-0.000000 -0.000000 4.558407\nSn Ir\n2 1\ndirect\n0.750001 0.749999 0.749999 Sn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Ir\n",
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"spacegroup": 225
},
{
"id": "jvasp-59743",
"created_at": "2022-09-04T14:38:35.907591Z",
"updated_at": "2022-09-04T14:38:35.907611Z",
"structure_string": "Sn14 Ir6\n1.0\n7.793835 -0.000000 -2.755537\n-3.896917 6.749659 -2.755537\n0.000000 0.000000 8.266610\nSn Ir\n14 6\ndirect\n0.670649 0.670650 0.670649 Sn\n0.329350 0.000000 -0.000000 Sn\n0.329350 0.329350 0.329350 Sn\n0.250000 0.500000 0.750000 Sn\n0.749999 0.500000 0.249999 Sn\n0.499999 0.750000 0.249999 Sn\n0.749999 0.250000 0.499999 Sn\n0.500000 0.250000 0.750000 Sn\n-0.000000 0.329350 -0.000000 Sn\n0.000000 0.000000 0.329350 Sn\n-0.000000 0.670650 -0.000000 Sn\n0.000000 0.000000 0.670650 Sn\n0.670649 0.000000 -0.000000 Sn\n0.250000 0.750000 0.499999 Sn\n0.340809 0.000000 0.340809 Ir\n-0.000000 0.659191 0.659191 Ir\n0.340809 0.340809 -0.000000 Ir\n0.659190 0.659191 -0.000001 Ir\n0.659191 0.000000 0.659191 Ir\n-0.000000 0.340809 0.340809 Ir\n",
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"formula_full": "Sn14 Ir6",
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{
"id": "jvasp-20572",
"created_at": "2022-09-04T14:38:13.831023Z",
"updated_at": "2022-09-04T14:38:13.831049Z",
"structure_string": "Sn2 Ir1\n1.0\n3.947696 0.000000 2.279203\n1.315899 3.721924 2.279203\n-0.000000 -0.000000 4.558407\nSn Ir\n2 1\ndirect\n0.750001 0.749999 0.749999 Sn\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Ir\n",
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{
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"created_at": "2022-09-04T14:38:51.453371Z",
"updated_at": "2022-09-04T14:38:51.453391Z",
"structure_string": "Sn7 Ir1\n1.0\n6.473631 -0.000000 -0.000000\n0.000000 6.473631 -0.000000\n0.000000 -0.000000 6.473631\nSn Ir\n7 1\ndirect\n0.230232 0.230232 0.730232 Sn\n0.000000 0.500000 0.000000 Sn\n0.230232 0.769767 0.269768 Sn\n0.500000 0.000000 0.000000 Sn\n0.769767 0.230232 0.269768 Sn\n0.500000 0.500000 0.500000 Sn\n0.769767 0.769767 0.730232 Sn\n0.000000 0.000000 0.500000 Ir\n",
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},
{
"id": "jvasp-12309",
"created_at": "2022-09-04T14:38:15.177145Z",
"updated_at": "2022-09-04T14:38:15.177170Z",
"structure_string": "Sn7 Ir5\n1.0\n5.783441 0.000000 3.099396\n2.891721 6.143100 1.549698\n-0.010001 0.000000 6.964280\nSn Ir\n7 5\ndirect\n0.725396 -0.000000 0.570874 Sn\n0.296269 0.429126 0.000000 Sn\n0.725395 0.570874 0.000001 Sn\n0.296269 -0.000000 0.429127 Sn\n0.414651 0.500000 0.500000 Sn\n0.902523 -0.000000 0.000001 Sn\n0.914651 0.500000 0.500001 Sn\n0.933230 0.243902 0.243903 Ir\n0.177132 0.756098 0.243902 Ir\n0.177132 0.243902 0.756098 Ir\n0.421033 0.756098 0.756098 Ir\n0.502317 -0.000000 0.000000 Ir\n",
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